SCHEMBL1611415

SCHEMBL1611415

Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccnn2CCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.59
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ LMNA P02545 4/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ USP2 O75604 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ NTRK2 Q16620 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1493457 0.92 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNAALOX15
SCHEMBL1493293 0.87 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL1611572 0.87 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ALMNAALOX15
SCHEMBL1493501 0.86 ALDH1A1 (0.63) ALDH1A1MEN1KMT2ALMNAALOX15
SCHEMBL1612575 0.85 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ALMNAALOX15
SCHEMBL1493542 0.83 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ALMNAALOX15
SCHEMBL1612524 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL1612225 0.82 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ALMNAALOX15
SCHEMBL1612460 0.82 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ALMNAALOX15
SCHEMBL1493417 0.81 NPSR1 (0.48) ALDH1A1KMT2ATSHRSMN1; SMN2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 — — US claimed
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ALDH1A1 3233/4885MEN1 683/4885KMT2A 1510/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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